3-[(4-methylsulfonylphenyl)methyl]-6-(3-pyridin-3-ylprop-1-ynyl)pyrido[3,4-d]pyrimidin-4-one

Systemtic Name: 3-[(4-methylsulfonylphenyl)methyl]-6-(3-pyridin-3-ylprop-1-ynyl)pyrido[3,4-d]pyrimidin-4-one Openeye Name: 3-[(4-methylsulfonylphenyl)methyl]-6-[3-(3-pyridyl)prop-1-ynyl]pyrido[3,4-d]pyrimidin-4-one CAS Name: 3-[(4-methylsulfonylphenyl)methyl]-6-[3-(3-pyridinyl)prop-1-ynyl]-4-pyrido[3,4-d]pyrimidinone IUPAC Name: 3-[(4-methylsulfonylphenyl)methyl]-6-(3-pyridin-3-ylprop-1-ynyl)pyrido[3,4-d]pyrimidin-4-one Traditional Name: 3-(4-mesylbenzyl)-6-[3-(3-pyridyl)prop-1-ynyl]pyrido[3,4-d]pyrimidin-4-one Formula: C23H18N4O3S MolecularWeight: 430.47902

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=C(N=C3)C#CCC4=CN=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=C(N=C3)C#CCC4=CN=CC=C4

InChI

InChI=1S/C23H18N4O3S/c1-31(29,30)20-9-7-18(8-10-20)15-27-16-26-22-14-25-19(12-21(22)23(27)28)6-2-4-17-5-3-11-24-13-17/h3,5,7-14,16H,4,15H2,1H3